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19822-67-4 | 4-Cyclohepten-1-one, 2,2,5-trimethyl-
CAS No: 19822-67-4 Catalog No: AG002BDZ MDL No:
Product Description
Catalog Number:
AG002BDZ
Chemical Name:
4-Cyclohepten-1-one, 2,2,5-trimethyl-
CAS Number:
19822-67-4
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
2,2,5-trimethylcyclohept-4-en-1-one
InChI:
InChI=1S/C10H16O/c1-8-4-5-9(11)10(2,3)7-6-8/h6H,4-5,7H2,1-3H3
InChI Key:
SKKTZNHVYFHGDC-UHFFFAOYSA-N
SMILES:
CC1=CCC(C(=O)CC1)(C)C
EC Number:
243-351-7
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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